boglet

Add structure filters

1

Excellent work! Thank you. One of the use-cases is to use the generator to create a small(ish) set of potential structures that fit key structural criteria. It would be great...

Bingo unable to index on SQL Server

7

**Steps to Reproduce** 1. Use Indigo library (Bingo cartridge). Latest release on SQL Server 16.0.1000.6 2. exec bingo.CreateMoleculeIndex 'mycsdb', 'id', 'smiles'; **Expected behavior** Index expected. **Actual behavior** Indexing fails with...

CountStereocenters does not include non-resolved stereocenters

3

**Steps to Reproduce** Simple Winforms application written in C# `IndigoObject mol = indigo.loadMolecule("ClC(Br)CC"); int nstereo = mol.countStereocenters(); Console.WriteLine("Stereo = " + nstereo);` **Expected behavior** Would expect the unresolved chiral centre...